Using Self-Consistent Energy Surfaces to Calculate the Population Distributions of Neutral Clusters and Negatively Charged Clusters Consisting of Sulfuric Acid and Water

摘要

We synthesize self-consistent Gibbs free energy surfaces for clusters of sulfuric acid, water, and bisulfate ions from a variety of sources including: a thermodynamic model of electrolyte solutions, the capillarity approximation, experimental measurements, and quantum chemical calculations. From these free energy surfaces, the equilibrium population distributions are calculated for neutral clusters of sulfuric acid and water and negatively charged clusters, consisting of sulfuric acid and water surrounding a bisulfate ion.